CID 51060826

2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-n-(2-methylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C19H16BrN3O3
SMILES
CC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC#C
InChI
InChI=1S/C19H16BrN3O3/c1-3-10-26-17-9-8-15(20)11-14(17)12-21-23-19(25)18(24)22-16-7-5-4-6-13(16)2/h1,4-9,11-12H,10H2,2H3,(H,22,24)(H,23,25)/b21-12+
InChIKey
WZGLAKUICKICFI-CIAFOILYSA-N
Compound name
N'-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0375 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04478 188.2
[M+Na]+ 436.02672 190.4
[M+NH4]+ 431.07132 187.7
[M+K]+ 452.00066 186.5
[M-H]- 412.03022 183.5
[M+Na-2H]- 434.01217 188.5
[M]+ 413.03695 185.2
[M]- 413.03805 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.